#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku s ASN 3 N 0.00 -0.37 0.43 1.61 3.04 -1.26 -4.93 114.94 113.46 1iku s ASN 3 Ca 0.00 0.61 0.19 0.00 0.04 0.00 0.00 52.86 53.70 1iku s ASN 3 Cb 0.00 1.01 1.12 0.00 -1.54 0.00 0.00 41.25 41.84 1iku s ASN 3 CO 0.00 -0.10 1.87 0.28 -3.04 0.00 0.00 177.10 176.11 1iku h SER 4 N 5.28 0.36 -0.60 -4.21 0.02 -1.96 -0.57 113.55 111.88 1iku h SER 4 Ca -0.28 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1iku h SER 4 Cb 1.18 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 1iku h SER 4 CO 0.19 0.15 0.04 0.50 -1.14 0.00 0.00 176.83 176.57 1iku h LYS 5 N 0.36 0.15 0.00 3.45 1.63 -1.97 0.68 116.57 120.88 1iku h LYS 5 Ca 0.45 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1iku h LYS 5 Cb 1.17 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1iku h LYS 5 CO -0.15 0.10 -0.02 0.77 -3.45 0.00 0.00 179.45 176.70 1iku h SER 6 N 0.16 0.00 0.10 4.20 0.02 -1.44 -1.60 113.55 114.98 1iku h SER 6 Ca 0.31 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1iku h SER 6 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1iku h SER 6 CO -0.48 0.02 -0.61 1.23 -1.14 0.00 0.00 176.83 175.86 1iku h GLY 7 N 0.74 0.56 0.85 -3.77 0.00 0.40 -2.99 103.07 98.85 1iku h GLY 7 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1iku h GLY 7 CO 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 176.54 176.89 1iku h ALA 8 N 0.96 -0.75 -1.00 3.60 0.00 -0.79 -2.45 119.26 118.83 1iku h ALA 8 Ca -0.01 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 54.98 1iku h ALA 8 Cb 1.16 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1iku h ALA 8 CO 0.11 -0.84 0.57 -0.07 0.00 0.00 0.00 179.25 179.02 1iku h LEU 9 N -0.91 0.60 -1.08 0.00 3.38 -1.58 0.64 115.31 116.35 1iku h LEU 9 Ca -0.08 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1iku h LEU 9 Cb 0.63 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1iku h LEU 9 CO 0.13 0.02 0.50 -1.28 0.09 0.00 0.00 178.44 177.90 1iku h SER 10 N 0.49 1.00 0.11 -0.43 0.87 -1.33 -0.33 113.55 113.92 1iku h SER 10 Ca 0.67 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.16 1iku h SER 10 Cb 1.35 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1iku h SER 10 CO -0.52 0.77 -0.05 0.50 -0.53 0.00 0.00 176.83 176.99 1iku h LYS 11 N 1.15 -0.14 -0.70 2.24 3.64 0.73 0.85 116.57 124.34 1iku h LYS 11 Ca 0.30 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1iku h LYS 11 Cb -0.05 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1iku h LYS 11 CO -0.06 0.04 0.31 0.93 -2.27 0.00 0.00 179.45 178.41 1iku h GLU 12 N -0.30 1.00 0.12 1.90 5.08 -1.16 -0.72 114.58 120.50 1iku h GLU 12 Ca -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1iku h GLU 12 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1iku h GLU 12 CO 0.02 0.79 -0.06 0.82 -1.00 0.00 0.00 179.01 179.59 1iku h ILE 13 N 0.99 0.00 0.00 3.13 2.04 -0.89 -2.09 117.51 120.69 1iku h ILE 13 Ca 0.24 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1iku h ILE 13 Cb 0.14 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1iku h ILE 13 CO -0.03 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.38 1iku h LEU 14 N -0.29 0.00 0.07 1.44 3.38 -0.89 -1.62 115.31 117.41 1iku h LEU 14 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iku h LEU 14 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1iku h LEU 14 CO 0.03 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 178.44 1iku h GLU 15 N 0.00 -0.09 -1.03 1.13 4.81 -1.03 -3.06 114.58 115.31 1iku h GLU 15 Ca 0.00 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.53 1iku h GLU 15 Cb 0.66 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1iku h GLU 15 CO 0.00 -0.02 0.74 0.93 -0.73 0.00 0.00 179.01 179.93 1iku h GLU 16 N -1.02 0.01 0.00 1.92 5.08 -0.58 -2.66 114.58 117.33 1iku h GLU 16 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 16 Cb 0.12 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1iku h GLU 16 CO 0.02 0.01 0.00 -0.11 -1.00 0.00 0.00 179.01 177.92 1iku n LEU 17 N -4.23 0.00 0.00 1.33 0.00 -1.02 -4.93 117.00 108.14 1iku n LEU 17 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1iku n LEU 17 Cb 1.09 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 44.29 1iku n LEU 17 CO 0.39 -0.22 0.00 1.67 0.00 0.00 0.00 177.39 179.24 1iku n GLN 18 N -1.41 0.00 0.10 1.96 7.27 -1.00 -5.03 117.38 119.27 1iku n GLN 18 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1iku n GLN 18 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1iku n GLN 18 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1iku h LEU 19 N 0.00 -0.22 -0.75 1.69 3.38 -1.77 -3.50 115.31 114.14 1iku h LEU 19 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iku h LEU 19 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iku h LEU 19 CO 0.00 -0.14 -0.24 -0.46 0.09 0.00 0.00 178.44 177.69 1iku n ASN 20 N -2.79 -3.77 -4.16 -0.43 0.23 -1.16 -4.87 115.26 98.31 1iku n ASN 20 Ca -0.03 0.34 -0.32 0.00 -0.53 0.00 0.00 54.58 54.03 1iku n ASN 20 Cb 0.10 -1.31 -0.17 0.00 -2.08 0.00 0.00 39.78 36.32 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1iku s THR 21 N -0.64 2.01 -1.32 5.53 -1.32 -1.26 -4.78 115.64 113.86 1iku s THR 21 Ca 0.00 -0.95 0.29 0.00 -1.21 0.00 0.00 61.69 59.82 1iku s THR 21 Cb 0.00 -1.78 0.35 0.00 -1.51 0.00 0.00 72.50 69.56 1iku s THR 21 CO 0.00 0.54 1.87 2.29 -2.21 0.00 0.00 174.62 177.11 1iku n LYS 22 N 4.08 0.33 -2.02 7.08 -0.00 -1.26 -4.80 118.16 121.57 1iku n LYS 22 Ca -0.20 -0.07 -0.43 0.00 -0.00 0.00 0.00 58.31 57.61 1iku n LYS 22 Cb 0.51 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.02 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1iku s PHE 23 N -2.72 1.95 0.46 5.58 0.40 -1.26 -4.92 117.98 117.47 1iku s PHE 23 Ca 0.22 0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 56.73 1iku s PHE 23 Cb 0.19 -3.97 -0.13 0.00 0.51 0.00 0.00 43.02 39.63 1iku s PHE 23 CO 0.52 -3.45 0.31 -2.37 0.70 0.00 0.00 175.22 170.92 1iku n THR 24 N 6.16 1.27 -0.24 0.64 5.66 -1.26 -4.81 114.28 121.70 1iku n THR 24 Ca 0.19 -0.50 -0.03 0.00 -3.05 0.00 0.00 64.05 60.66 1iku n THR 24 Cb 0.44 -0.34 0.09 0.00 -1.55 0.00 0.00 70.33 68.97 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N 0.42 0.78 -1.22 1.09 4.11 -1.91 -1.23 114.58 116.62 1iku h GLU 25 Ca -0.41 -0.05 0.35 0.00 0.07 0.00 0.00 59.36 59.33 1iku h GLU 25 Cb 1.42 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1iku h GLU 25 CO 0.48 0.52 0.84 0.93 0.07 0.00 0.00 179.01 181.85 1iku h GLU 26 N 0.81 0.13 0.80 1.06 5.08 -1.88 -0.53 114.58 120.05 1iku h GLU 26 Ca 0.29 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1iku h GLU 26 Cb 0.07 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1iku h GLU 26 CO -0.13 0.08 -0.38 1.49 -1.00 0.00 0.00 179.01 179.07 1iku h GLU 27 N 0.13 -1.04 -1.26 2.33 4.22 -1.53 -2.53 114.58 114.90 1iku h GLU 27 Ca 0.64 0.07 0.36 0.00 0.08 0.00 0.00 59.36 60.51 1iku h GLU 27 Cb 2.19 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 31.62 1iku h GLU 27 CO -0.15 -0.69 0.89 -0.07 -2.18 0.00 0.00 179.01 176.81 1iku h LEU 28 N -1.27 0.08 0.60 1.64 3.38 -1.16 0.19 115.31 118.76 1iku h LEU 28 Ca -0.11 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1iku h LEU 28 Cb 0.83 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1iku h LEU 28 CO 0.18 0.00 -0.29 -1.28 0.09 0.00 0.00 178.44 177.14 1iku h SER 29 N 0.06 -0.68 -0.12 -0.43 0.87 -1.05 0.46 113.55 112.66 1iku h SER 29 Ca 0.62 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 1iku h SER 29 Cb 2.35 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 64.48 1iku h SER 29 CO -0.07 -0.38 0.08 0.77 -0.53 0.00 0.00 176.83 176.70 1iku h SER 30 N -1.01 0.13 0.01 6.23 4.64 -0.83 -2.68 113.55 120.03 1iku h SER 30 Ca -0.08 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1iku h SER 30 Cb 0.62 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1iku h SER 30 CO 0.14 0.09 -0.00 -0.25 -0.87 0.00 0.00 176.83 175.93 1iku h TRP 31 N 0.15 -0.01 -1.42 4.77 7.01 -0.60 -2.36 115.95 123.48 1iku h TRP 31 Ca 0.05 -0.00 0.44 0.00 2.11 0.00 0.00 58.89 61.48 1iku h TRP 31 Cb 0.01 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 26.98 1iku h TRP 31 CO -0.00 -0.01 0.99 0.98 -2.79 0.00 0.00 178.44 177.61 1iku n TYR 32 N -2.08 0.24 0.07 2.65 9.36 0.16 0.23 117.16 127.80 1iku n TYR 32 Ca -0.00 0.24 -0.18 0.00 3.32 0.00 0.00 57.90 61.28 1iku n TYR 32 Cb 0.00 -0.65 -0.14 0.00 -0.63 0.00 0.00 39.34 37.92 1iku n TYR 32 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1iku h GLN 33 N 0.00 0.29 0.00 2.98 1.08 -1.54 -2.76 115.11 115.16 1iku h GLN 33 Ca 0.75 -0.49 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 1iku h GLN 33 Cb 2.79 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 30.38 1iku h GLN 33 CO -0.16 1.17 -0.76 1.03 -0.95 0.00 0.00 178.83 179.16 1iku h SER 34 N 0.08 0.00 -0.01 1.46 0.87 0.34 -0.35 113.55 115.94 1iku h SER 34 Ca -0.25 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.18 1iku h SER 34 Cb 2.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 64.00 1iku h SER 34 CO 0.18 0.76 -0.52 0.15 -0.53 0.00 0.00 176.83 176.86 1iku h PHE 35 N 0.00 0.56 0.00 2.24 3.57 -0.35 -2.84 116.94 120.12 1iku h PHE 35 Ca -0.01 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1iku h PHE 35 Cb 1.39 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1iku h PHE 35 CO 0.00 1.10 0.00 -0.07 -2.23 0.00 0.00 178.31 177.11 1iku h LEU 36 N -0.14 0.00 -0.27 0.59 3.38 -1.54 -2.38 115.31 114.95 1iku h LEU 36 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1iku h LEU 36 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1iku h LEU 36 CO 0.10 0.00 -0.42 0.50 0.09 0.00 0.00 178.44 178.71 1iku h LYS 37 N 0.00 0.76 0.00 1.13 3.64 -1.02 -2.92 116.57 118.16 1iku h LYS 37 Ca 0.00 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1iku h LYS 37 Cb 0.81 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1iku h LYS 37 CO 0.00 1.08 -0.10 0.93 -2.27 0.00 0.00 179.45 179.09 1iku h GLU 38 N 0.50 0.00 -3.02 1.90 5.08 -1.44 -3.37 114.58 114.23 1iku h GLU 38 Ca 0.02 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.76 1iku h GLU 38 Cb 1.02 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.85 1iku h GLU 38 CO 0.10 0.10 -0.57 0.00 -1.00 0.00 0.00 179.01 177.64 1iku h PRO 40 N 5.29 0.56 -0.12 0.00 0.14 -1.72 -2.52 132.00 133.63 1iku h PRO 40 Ca 0.15 -0.13 0.03 0.00 0.14 0.00 0.00 66.00 66.19 1iku h PRO 40 Cb 0.74 -0.07 -0.00 0.00 0.14 0.00 0.00 31.00 31.81 1iku h PRO 40 CO 0.73 0.61 0.79 1.03 0.14 0.00 0.00 178.00 181.29 1iku h SER 41 N 0.41 0.00 0.00 1.44 0.87 -1.91 -3.42 113.55 110.93 1iku h SER 41 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1iku h SER 41 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1iku h SER 41 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1iku n GLY 42 N -1.43 1.20 3.85 5.77 0.00 -0.95 -4.94 105.19 108.68 1iku n GLY 42 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N -0.07 3.98 0.08 1.61 0.52 -1.26 -2.89 118.95 120.92 1iku s ARG 43 Ca 0.00 0.50 -0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1iku s ARG 43 Cb 0.00 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1iku s ARG 43 CO 0.00 0.44 -0.03 0.96 0.02 0.00 0.00 175.30 176.69 1iku s ILE 44 N -1.53 0.33 0.45 1.52 -4.36 0.09 -4.90 121.20 112.80 1iku s ILE 44 Ca 0.40 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1iku s ILE 44 Cb -0.14 -1.65 0.01 0.00 1.25 0.00 0.00 42.46 41.93 1iku s ILE 44 CO 0.19 -0.88 0.50 0.42 0.24 0.00 0.00 174.94 175.41 1iku s THR 45 N -3.86 2.57 0.00 8.37 -4.23 -1.26 -0.86 115.64 116.37 1iku s THR 45 Ca 0.11 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1iku s THR 45 Cb 0.07 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1iku s THR 45 CO -0.07 0.00 1.00 0.54 -0.54 0.00 0.00 174.62 175.55 1iku n ARG 46 N -1.76 0.00 -0.51 3.99 1.74 -1.26 -0.92 116.66 117.93 1iku n ARG 46 Ca 0.06 0.60 0.41 0.00 -0.77 0.00 0.00 57.85 58.15 1iku n ARG 46 Cb 0.61 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 31.18 1iku n ARG 46 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1iku n GLN 47 N -2.20 0.00 0.02 5.56 -0.06 -1.26 0.15 117.38 119.60 1iku n GLN 47 Ca 0.00 0.92 -0.21 0.00 -2.00 0.00 0.00 57.00 55.70 1iku n GLN 47 Cb 0.00 -2.16 -0.14 0.00 -4.06 0.00 0.00 30.24 23.88 1iku n GLN 47 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1iku h GLU 48 N 0.00 0.27 -0.44 3.69 5.08 -1.82 -3.18 114.58 118.19 1iku h GLU 48 Ca 0.72 -0.47 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1iku h GLU 48 Cb 3.09 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 32.50 1iku h GLU 48 CO -0.01 1.22 0.04 0.35 -1.00 0.00 0.00 179.01 179.62 1iku h PHE 49 N -0.27 0.80 -0.22 4.33 3.57 0.33 -2.07 116.94 123.42 1iku h PHE 49 Ca -0.28 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 1iku h PHE 49 Cb 1.78 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1iku h PHE 49 CO 0.14 0.77 0.11 0.37 -2.23 0.00 0.00 178.31 177.46 1iku h GLN 50 N 0.59 0.29 -0.02 1.11 4.15 -0.98 0.53 115.11 120.78 1iku h GLN 50 Ca 0.13 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.34 1iku h GLN 50 Cb 0.42 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1iku h GLN 50 CO 0.01 0.23 -0.81 1.15 -1.93 0.00 0.00 178.83 177.48 1iku h THR 51 N 0.30 1.47 0.04 2.39 2.02 -1.45 -2.57 112.91 115.10 1iku h THR 51 Ca 0.08 -2.46 -0.22 0.00 0.77 0.00 0.00 66.41 64.58 1iku h THR 51 Cb 0.03 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1iku h THR 51 CO -0.01 0.72 -1.00 0.40 0.37 0.00 0.00 175.52 176.00 1iku h ILE 52 N 0.12 1.51 -0.24 3.11 2.04 -0.62 -1.93 117.51 121.50 1iku h ILE 52 Ca -0.03 -2.81 -0.14 0.00 1.00 0.00 0.00 64.86 62.87 1iku h ILE 52 Cb 1.40 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 1iku h ILE 52 CO 0.12 0.82 -0.43 0.22 0.00 0.00 0.00 178.15 178.88 1iku h TYR 53 N 0.10 0.73 0.02 1.37 3.20 -0.92 -2.58 116.97 118.88 1iku h TYR 53 Ca -0.07 -0.22 -0.21 0.00 3.14 0.00 0.00 58.73 61.37 1iku h TYR 53 Cb 1.67 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.77 1iku h TYR 53 CO 0.04 0.93 -0.97 0.66 -1.64 0.00 0.00 178.16 177.19 1iku h SER 54 N 0.49 0.15 0.37 -2.11 4.64 -1.48 -1.41 113.55 114.20 1iku h SER 54 Ca 0.04 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1iku h SER 54 Cb 0.95 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1iku h SER 54 CO 0.09 1.02 -0.18 0.11 -0.87 0.00 0.00 176.83 177.00 1iku h LYS 55 N 0.04 -0.48 0.00 4.77 1.57 -1.24 -0.84 116.57 120.40 1iku h LYS 55 Ca -0.04 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1iku h LYS 55 Cb 1.66 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1iku h LYS 55 CO 0.14 -0.21 -0.17 0.74 -0.57 0.00 0.00 179.45 179.38 1iku h PHE 56 N -0.71 0.00 -2.30 -1.35 0.04 -1.57 -3.36 116.94 107.69 1iku h PHE 56 Ca -0.05 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.13 1iku h PHE 56 Cb 0.49 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.25 1iku h PHE 56 CO -0.00 0.17 -0.87 1.19 -0.60 0.00 0.00 178.31 178.20 1iku n PHE 57 N -3.23 0.97 0.00 -0.55 3.72 -0.53 -4.45 117.46 113.39 1iku n PHE 57 Ca 0.01 -3.75 0.00 0.00 -0.05 0.00 0.00 57.45 53.67 1iku n PHE 57 Cb 0.48 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1iku n PHE 57 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1iku n PRO 58 N 1.73 0.00 0.00 -1.08 -0.05 -0.33 -2.86 135.00 132.40 1iku n PRO 58 Ca 0.25 0.25 0.00 0.00 -0.05 0.00 0.00 63.50 63.95 1iku n PRO 58 Cb 0.46 -1.11 0.00 0.00 -0.05 0.00 0.00 33.50 32.80 1iku n PRO 58 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1iku n GLU 59 N -1.25 0.00 -2.97 0.54 -0.00 -1.26 -4.44 120.64 111.26 1iku n GLU 59 Ca 0.00 0.21 -0.40 0.00 -0.00 0.00 0.00 57.16 56.97 1iku n GLU 59 Cb 0.00 -1.73 -0.05 0.00 -0.00 0.00 0.00 31.44 29.66 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iku s ALA 60 N -2.37 3.36 0.33 -1.84 0.00 -1.14 -5.01 121.76 115.11 1iku s ALA 60 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1iku s ALA 60 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 19.99 1iku s ALA 60 CO 0.00 0.07 1.49 -3.47 0.00 0.00 0.00 175.76 173.84 1iku n ASP 61 N 2.77 3.55 0.00 0.00 -0.08 -1.26 -4.76 116.55 116.76 1iku n ASP 61 Ca -0.02 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 1iku n ASP 61 Cb 0.50 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.39 1iku n ASP 61 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1iku n PRO 62 N 1.23 0.00 -2.76 -0.67 -0.02 -1.26 -1.99 135.00 129.53 1iku n PRO 62 Ca 0.05 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1iku n PRO 62 Cb 0.37 -1.51 0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1iku n LYS 63 N -0.93 1.07 0.00 -0.52 2.85 -1.26 -4.88 118.16 114.49 1iku n LYS 63 Ca 0.00 -2.10 0.00 0.00 -1.05 0.00 0.00 58.31 55.16 1iku n LYS 63 Cb 0.01 -0.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N 0.06 0.00 -0.02 0.58 0.00 -0.84 -4.70 120.51 115.59 1iku n ALA 64 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1iku n ALA 64 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.19 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.26 0.17 0.00 9.36 -1.26 -4.11 117.16 121.58 1iku n TYR 65 Ca 0.00 0.11 0.03 0.00 3.32 0.00 0.00 57.90 61.37 1iku n TYR 65 Cb 0.00 -0.39 0.18 0.00 -0.63 0.00 0.00 39.34 38.50 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku h ALA 66 N -1.71 1.36 -1.10 2.98 0.00 -1.95 -0.54 119.26 118.30 1iku h ALA 66 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1iku h ALA 66 Cb 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1iku h ALA 66 CO 0.00 -0.36 0.74 0.37 0.00 0.00 0.00 179.25 180.00 1iku h GLN 67 N 0.00 0.21 0.07 0.00 4.15 -1.84 -0.35 115.11 117.35 1iku h GLN 67 Ca 0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1iku h GLN 67 Cb 1.07 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.72 1iku h GLN 67 CO 0.00 0.14 -0.40 1.25 -1.93 0.00 0.00 178.83 177.89 1iku h HIS 68 N 0.21 0.27 0.09 3.99 2.76 -1.37 -3.15 115.15 117.96 1iku h HIS 68 Ca 0.58 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1iku h HIS 68 Cb 1.84 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.77 1iku h HIS 68 CO -0.00 1.15 -0.28 0.28 -1.30 0.00 0.00 177.93 177.77 1iku h VAL 69 N -0.68 0.00 -0.62 5.26 2.07 -1.27 0.42 116.25 121.42 1iku h VAL 69 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1iku h VAL 69 Cb 1.31 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 1iku h VAL 69 CO 0.07 0.00 -0.22 0.15 0.02 0.00 0.00 177.57 177.59 1iku h PHE 70 N -0.43 -0.54 -0.49 1.57 3.04 -1.51 0.80 116.94 119.38 1iku h PHE 70 Ca -0.01 0.06 0.14 0.00 3.98 0.00 0.00 57.97 62.14 1iku h PHE 70 Cb 0.42 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 1iku h PHE 70 CO -0.35 -0.32 0.35 -0.09 -2.02 0.00 0.00 178.31 175.88 1iku h ARG 71 N -0.06 0.03 0.00 1.11 1.12 -1.40 0.27 114.38 115.44 1iku h ARG 71 Ca 0.28 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.11 1iku h ARG 71 Cb 0.51 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 1iku h ARG 71 CO -0.67 0.02 -0.20 0.77 -3.11 0.00 0.00 179.97 176.78 1iku h SER 72 N 0.03 0.00 0.74 -3.80 0.02 0.28 -3.19 113.55 107.63 1iku h SER 72 Ca 0.23 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.93 1iku h SER 72 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1iku h SER 72 CO -0.01 0.20 -1.34 -0.26 -1.14 0.00 0.00 176.83 174.29 1iku h PHE 73 N 0.00 0.04 0.00 3.45 0.04 0.57 -3.46 116.94 117.58 1iku h PHE 73 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1iku h PHE 73 Cb 1.01 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1iku h PHE 73 CO 0.00 1.04 0.00 -0.40 -0.60 0.00 0.00 178.31 178.35 1iku n ASP 74 N -3.24 0.00 -0.33 2.17 5.75 -0.63 -4.70 116.55 115.58 1iku n ASP 74 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1iku n ASP 74 Cb 0.99 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iku n ALA 75 N 6.08 0.00 -0.91 2.12 0.00 -1.26 -4.66 120.51 121.88 1iku n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iku n ALA 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1iku n ASN 76 N -0.08 0.00 0.00 0.00 6.94 -1.26 -4.96 115.26 115.90 1iku n ASN 76 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.24 1iku n ASN 76 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1iku n ASN 76 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1iku n SER 77 N 0.00 0.93 0.00 0.53 7.64 -1.26 -5.09 113.62 116.37 1iku n SER 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iku n SER 77 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1iku n SER 77 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1iku n ASP 78 N -2.27 0.00 0.00 6.43 5.75 -1.26 -5.00 116.55 120.19 1iku n ASP 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1iku n ASP 78 Cb 0.21 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iku n GLY 79 N -1.30 0.67 3.95 6.12 0.00 -1.26 -4.89 105.19 108.48 1iku n GLY 79 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N 0.00 2.72 0.25 2.61 -4.23 -1.26 -4.15 115.64 111.57 1iku s THR 80 Ca 0.00 -0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 59.82 1iku s THR 80 Cb 0.00 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1iku s THR 80 CO 0.00 -0.06 0.69 -1.48 -0.54 0.00 0.00 174.62 173.23 1iku s LEU 81 N -4.92 -0.33 0.05 4.79 0.05 -0.04 -4.05 118.68 114.24 1iku s LEU 81 Ca 0.57 -0.47 -0.24 0.00 0.05 0.00 0.00 54.13 54.04 1iku s LEU 81 Cb -0.10 2.70 -0.06 0.00 -2.05 0.00 0.00 46.19 46.67 1iku s LEU 81 CO 0.41 -1.26 0.75 -1.81 -0.55 0.00 0.00 176.35 173.88 1iku s ASP 82 N -2.88 7.21 -0.12 1.48 1.11 -1.26 -0.74 116.67 121.47 1iku s ASP 82 Ca 0.09 1.44 -0.07 0.00 0.18 0.00 0.00 52.55 54.19 1iku s ASP 82 Cb -0.05 -2.46 -0.26 0.00 1.07 0.00 0.00 42.92 41.22 1iku s ASP 82 CO 0.02 0.05 0.38 0.33 1.18 0.00 0.00 175.17 177.13 1iku n PHE 83 N 2.63 1.29 0.34 4.23 7.35 -1.14 -3.55 117.46 128.60 1iku n PHE 83 Ca -0.03 0.27 -0.17 0.00 -0.76 0.00 0.00 57.45 56.75 1iku n PHE 83 Cb 0.50 -1.17 -0.09 0.00 0.35 0.00 0.00 39.48 39.08 1iku n PHE 83 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1iku h LYS 84 N 0.07 -0.85 -0.96 -4.13 1.57 -1.93 -0.73 116.57 109.61 1iku h LYS 84 Ca -0.42 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1iku h LYS 84 Cb 2.04 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 34.47 1iku h LYS 84 CO 0.09 -0.57 0.61 0.93 -0.57 0.00 0.00 179.45 179.95 1iku h GLU 85 N -0.88 0.96 -0.64 3.15 5.08 -1.97 -0.89 114.58 119.40 1iku h GLU 85 Ca -0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1iku h GLU 85 Cb 0.70 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1iku h GLU 85 CO 0.10 0.64 0.36 -0.92 -1.00 0.00 0.00 179.01 178.19 1iku h TYR 86 N 0.99 0.87 0.38 4.33 5.03 -1.52 -0.99 116.97 126.06 1iku h TYR 86 Ca 0.45 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.72 1iku h TYR 86 Cb 0.38 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.39 1iku h TYR 86 CO -0.00 0.61 -0.18 0.28 -1.32 0.00 0.00 178.16 177.55 1iku h VAL 87 N 0.87 0.63 0.31 1.81 2.07 0.21 -1.70 116.25 120.45 1iku h VAL 87 Ca 0.23 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1iku h VAL 87 Cb 0.02 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1iku h VAL 87 CO -0.04 0.01 -0.40 0.40 0.02 0.00 0.00 177.57 177.56 1iku h ILE 88 N -0.53 0.18 -0.28 4.57 2.04 -1.17 0.22 117.51 122.55 1iku h ILE 88 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1iku h ILE 88 Cb 0.41 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1iku h ILE 88 CO 0.09 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.77 1iku h ALA 89 N -0.35 1.89 0.00 1.87 0.00 -1.13 0.39 119.26 121.93 1iku h ALA 89 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1iku h ALA 89 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1iku h ALA 89 CO -0.12 -0.68 -0.45 1.25 0.00 0.00 0.00 179.25 179.26 1iku h LEU 90 N 0.00 0.01 0.29 0.00 7.12 0.26 -3.36 115.31 119.62 1iku h LEU 90 Ca 0.13 -0.83 -0.01 0.00 0.13 0.00 0.00 57.88 57.29 1iku h LEU 90 Cb 1.20 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1iku h LEU 90 CO -0.00 1.18 -0.14 0.45 -0.13 0.00 0.00 178.44 179.80 1iku h HIS 91 N -0.99 -0.36 0.00 1.25 3.86 0.13 -3.36 115.15 115.68 1iku h HIS 91 Ca -0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1iku h HIS 91 Cb 1.12 0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1iku h HIS 91 CO 0.22 -0.22 0.00 -0.12 0.86 0.00 0.00 177.93 178.66 1iku n MET 92 N -3.12 0.00 -1.56 2.45 0.00 -0.37 -3.82 117.12 110.70 1iku n MET 92 Ca -0.05 0.33 -0.40 0.00 -0.00 0.00 0.00 57.70 57.59 1iku n MET 92 Cb 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 33.22 32.65 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1iku n THR 93 N -0.82 0.09 0.00 1.12 5.66 -1.26 -4.79 114.28 114.28 1iku n THR 93 Ca 0.00 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1iku n THR 93 Cb 0.00 -2.53 0.00 0.00 -1.55 0.00 0.00 70.33 66.25 1iku n THR 93 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1iku n SER 94 N 13.73 0.00 0.00 1.09 2.88 -1.25 -4.88 113.62 125.19 1iku n SER 94 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1iku n SER 94 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iku n ALA 95 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.59 120.51 113.20 1iku n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 0.00 0.27 3.39 0.00 0.00 -1.26 -4.95 105.19 102.64 1iku n GLY 96 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N -0.71 0.07 0.00 1.61 4.76 -1.26 -4.95 118.16 117.67 1iku n LYS 97 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1iku n LYS 97 Cb 0.00 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iku n THR 98 N -0.15 0.00 0.27 -0.18 -1.04 -1.26 -4.22 114.28 107.71 1iku n THR 98 Ca 0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.21 1iku n THR 98 Cb 0.28 -0.61 0.08 0.00 -1.82 0.00 0.00 70.33 68.26 1iku n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iku h ASN 99 N 0.00 0.00 0.05 8.00 -0.00 -1.94 0.89 115.58 122.57 1iku h ASN 99 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.30 56.03 1iku h ASN 99 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1iku h ASN 99 CO 0.00 0.00 -1.07 -0.61 -0.00 0.00 0.00 177.43 175.75 1iku h GLN 100 N 0.00 0.64 0.04 4.14 5.75 -1.97 -3.02 115.11 120.69 1iku h GLN 100 Ca 0.05 -0.76 -0.21 0.00 -0.15 0.00 0.00 58.65 57.58 1iku h GLN 100 Cb 2.03 0.23 0.02 0.00 1.07 0.00 0.00 27.48 30.83 1iku h GLN 100 CO -0.00 1.33 -0.86 -0.22 -2.65 0.00 0.00 178.83 176.43 1iku h LYS 101 N 0.29 0.51 0.62 1.69 1.63 0.62 -3.31 116.57 118.62 1iku h LYS 101 Ca -0.15 -0.60 -0.03 0.00 -0.85 0.00 0.00 60.65 59.02 1iku h LYS 101 Cb 1.74 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 33.56 1iku h LYS 101 CO 0.21 1.23 -0.30 -0.07 -3.45 0.00 0.00 179.45 177.07 1iku h LEU 102 N 0.05 -0.71 -0.91 5.20 3.38 -1.58 -2.71 115.31 118.04 1iku h LEU 102 Ca -0.12 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.22 1iku h LEU 102 Cb 1.56 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 42.33 1iku h LEU 102 CO 0.17 -0.50 0.38 -0.62 0.09 0.00 0.00 178.44 177.96 1iku n GLU 103 N -4.26 -0.06 0.13 1.13 1.02 -1.14 0.66 120.64 118.12 1iku n GLU 103 Ca -0.10 1.27 -0.14 0.00 -0.02 0.00 0.00 57.16 58.17 1iku n GLU 103 Cb 0.33 -2.22 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 1iku n GLU 103 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1iku h TRP 104 N 0.00 -0.27 -0.36 -0.32 7.01 -1.60 0.91 115.95 121.31 1iku h TRP 104 Ca 0.72 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.74 1iku h TRP 104 Cb 1.83 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.94 1iku h TRP 104 CO -0.11 -0.04 0.16 0.00 -2.79 0.00 0.00 178.44 175.66 1iku h ALA 105 N 0.27 0.44 -0.53 2.65 0.00 0.54 0.26 119.26 122.89 1iku h ALA 105 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iku h ALA 105 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1iku h ALA 105 CO 0.05 -0.21 0.34 0.35 0.00 0.00 0.00 179.25 179.78 1iku h PHE 106 N 0.34 0.68 0.00 0.00 3.04 -0.73 -1.64 116.94 118.64 1iku h PHE 106 Ca 0.16 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 1iku h PHE 106 Cb 0.09 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 1iku h PHE 106 CO -0.11 0.44 -0.28 1.03 -2.02 0.00 0.00 178.31 177.37 1iku h SER 107 N 0.72 0.00 0.62 0.41 0.87 -0.30 -1.97 113.55 113.90 1iku h SER 107 Ca 0.19 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1iku h SER 107 Cb -0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1iku h SER 107 CO -0.04 0.28 -0.52 0.25 -0.53 0.00 0.00 176.83 176.27 1iku h LEU 108 N 0.00 0.00 0.07 2.23 5.85 0.42 -3.24 115.31 120.65 1iku h LEU 108 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.39 1iku h LEU 108 Cb 0.70 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1iku h LEU 108 CO 0.04 0.52 -1.79 1.88 -0.34 0.00 0.00 178.44 178.75 1iku h TYR 109 N 0.00 0.28 -0.18 1.25 0.05 -1.04 -3.42 116.97 113.91 1iku h TYR 109 Ca -0.01 -0.21 -0.10 0.00 0.05 0.00 0.00 58.73 58.47 1iku h TYR 109 Cb 0.97 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 1iku h TYR 109 CO 0.00 1.40 0.31 -3.47 -1.05 0.00 0.00 178.16 175.35 1iku n ASP 110 N -3.30 1.79 0.00 3.88 2.03 -0.77 -4.70 116.55 115.47 1iku n ASP 110 Ca -0.23 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1iku n ASP 110 Cb 1.05 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iku n VAL 111 N 8.75 0.00 0.52 5.18 0.24 -1.26 -4.57 118.33 127.18 1iku n VAL 111 Ca 0.42 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.78 1iku n VAL 111 Cb 0.47 -0.09 0.02 0.00 -1.47 0.00 0.00 33.84 32.77 1iku n VAL 111 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iku n ASP 112 N 0.00 1.56 0.00 -1.34 2.03 -1.26 -4.81 116.55 112.73 1iku n ASP 112 Ca 0.00 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1iku n ASP 112 Cb 0.00 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iku n GLY 113 N 0.88 -1.55 0.00 0.27 0.00 -1.26 -4.94 105.19 98.59 1iku n GLY 113 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1iku n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iku n ASN 114 N -0.05 0.00 0.00 1.61 2.85 -1.26 -5.00 115.26 113.40 1iku n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1iku n ASN 114 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iku n GLY 115 N -0.12 0.00 3.11 8.20 0.00 -1.26 -5.11 105.19 110.01 1iku n GLY 115 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N 0.00 0.09 0.22 2.61 -4.23 -1.26 -3.91 115.64 109.15 1iku s THR 116 Ca 0.00 -0.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.88 1iku s THR 116 Cb 0.00 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1iku s THR 116 CO 0.00 -0.41 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.02 1iku s ILE 117 N -1.55 2.83 0.42 2.99 2.07 -0.86 -4.82 121.20 122.27 1iku s ILE 117 Ca -0.14 -1.97 0.07 0.00 -1.41 0.00 0.00 60.65 57.21 1iku s ILE 117 Cb -0.07 -2.43 -0.06 0.00 0.13 0.00 0.00 42.46 40.03 1iku s ILE 117 CO 0.01 -0.21 0.12 -0.44 -1.91 0.00 0.00 174.94 172.51 1iku s SER 118 N -3.06 4.23 0.09 4.50 0.01 -1.26 -2.61 113.70 115.61 1iku s SER 118 Ca 0.26 -1.19 -0.35 0.00 1.31 0.00 0.00 55.95 55.97 1iku s SER 118 Cb -0.07 -0.42 -0.16 0.00 0.21 0.00 0.00 66.02 65.58 1iku s SER 118 CO 0.14 -0.53 1.56 0.50 0.41 0.00 0.00 173.24 175.32 1iku h LYS 119 N 1.53 -0.87 -1.29 12.44 3.64 -1.97 -1.39 116.57 128.67 1iku h LYS 119 Ca -0.43 0.06 0.44 0.00 -1.27 0.00 0.00 60.65 59.45 1iku h LYS 119 Cb 1.25 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 33.13 1iku h LYS 119 CO 0.74 -0.58 0.81 -0.91 -2.27 0.00 0.00 179.45 177.24 1iku h ASN 120 N -0.90 0.25 -0.23 4.20 2.35 -2.00 0.85 115.58 120.10 1iku h ASN 120 Ca -0.04 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1iku h ASN 120 Cb 0.83 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1iku h ASN 120 CO -0.17 -0.23 0.04 -0.33 -1.65 0.00 0.00 177.43 175.10 1iku h GLU 121 N 0.07 0.37 -0.63 0.81 4.39 -1.67 -2.63 114.58 115.29 1iku h GLU 121 Ca 0.84 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 60.50 1iku h GLU 121 Cb 2.56 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 31.11 1iku h GLU 121 CO -0.48 0.51 0.33 0.28 -1.16 0.00 0.00 179.01 178.48 1iku h VAL 122 N 0.18 0.92 -0.44 3.13 2.07 0.96 -1.70 116.25 121.38 1iku h VAL 122 Ca 0.07 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1iku h VAL 122 Cb 0.31 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 1iku h VAL 122 CO 0.00 0.11 -0.02 0.25 0.02 0.00 0.00 177.57 177.93 1iku h LEU 123 N 0.60 -0.22 -0.59 2.57 5.85 -1.13 -0.57 115.31 121.82 1iku h LEU 123 Ca 0.29 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1iku h LEU 123 Cb 0.23 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1iku h LEU 123 CO -0.21 -0.07 0.09 -0.33 -0.34 0.00 0.00 178.44 177.58 1iku h GLU 124 N 0.09 0.21 0.52 1.25 4.39 -0.95 0.25 114.58 120.34 1iku h GLU 124 Ca 0.22 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1iku h GLU 124 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1iku h GLU 124 CO -0.38 0.14 -0.33 0.82 -1.16 0.00 0.00 179.01 178.10 1iku h ILE 125 N 0.22 0.33 -0.90 3.13 2.04 -0.87 -0.83 117.51 120.62 1iku h ILE 125 Ca 0.31 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.34 1iku h ILE 125 Cb 0.47 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1iku h ILE 125 CO -0.42 0.00 0.58 0.58 0.00 0.00 0.00 178.15 178.89 1iku h VAL 126 N -0.81 0.77 -0.24 1.67 2.07 -0.45 0.17 116.25 119.42 1iku h VAL 126 Ca -0.06 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1iku h VAL 126 Cb 0.66 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1iku h VAL 126 CO 0.06 0.11 -0.25 0.74 0.02 0.00 0.00 177.57 178.25 1iku h THR 127 N 0.59 1.26 -0.48 2.57 2.02 0.20 0.20 112.91 119.27 1iku h THR 127 Ca 0.47 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1iku h THR 127 Cb 0.89 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1iku h THR 127 CO -0.21 0.40 0.22 0.00 0.37 0.00 0.00 175.52 176.29 1iku h ALA 128 N 1.33 0.62 0.12 6.16 0.00 0.73 -2.19 119.26 126.03 1iku h ALA 128 Ca 0.06 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1iku h ALA 128 Cb 0.66 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1iku h ALA 128 CO 0.05 0.20 -1.21 0.82 0.00 0.00 0.00 179.25 179.11 1iku h ILE 129 N 0.64 1.41 -0.34 0.00 2.04 -1.21 -2.82 117.51 117.24 1iku h ILE 129 Ca 0.16 -2.77 0.06 0.00 1.00 0.00 0.00 64.86 63.32 1iku h ILE 129 Cb 0.14 2.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 1iku h ILE 129 CO -0.02 0.82 0.00 0.15 0.00 0.00 0.00 178.15 179.11 1iku h PHE 130 N 0.15 -0.01 -0.90 1.37 3.04 -0.48 0.34 116.94 120.45 1iku h PHE 130 Ca -0.15 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 1iku h PHE 130 Cb 1.90 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 40.42 1iku h PHE 130 CO 0.08 -0.06 0.55 0.87 -2.02 0.00 0.00 178.31 177.74 1iku h LYS 131 N 0.10 1.22 -0.62 1.11 1.57 -1.46 0.03 116.57 118.53 1iku h LYS 131 Ca 0.16 -0.11 0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1iku h LYS 131 Cb 0.22 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1iku h LYS 131 CO -0.27 0.85 0.45 1.98 -0.57 0.00 0.00 179.45 181.89 1iku h MET 132 N 1.24 0.00 -6.80 3.15 4.05 -0.72 -3.40 114.93 112.45 1iku h MET 132 Ca 0.32 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 59.25 1iku h MET 132 Cb -0.06 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1iku h MET 132 CO -0.06 0.00 0.07 0.42 0.23 0.00 0.00 176.91 177.56 1iku s ILE 133 N -5.00 4.87 0.16 1.77 1.01 -0.00 -4.97 121.20 119.03 1iku s ILE 133 Ca -0.05 0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 1iku s ILE 133 Cb 0.20 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 1iku s ILE 133 CO 0.74 -0.58 0.56 -0.55 0.00 0.00 0.00 174.94 175.11 1iku s SER 134 N -3.44 6.82 0.49 3.58 0.15 -1.26 -4.93 113.70 115.11 1iku s SER 134 Ca 0.49 1.08 0.27 0.00 0.70 0.00 0.00 55.95 58.49 1iku s SER 134 Cb -0.10 -2.29 1.47 0.00 -1.71 0.00 0.00 66.02 63.39 1iku s SER 134 CO 0.35 0.08 1.81 -0.65 1.20 0.00 0.00 173.24 176.03 1iku h PRO 135 N 3.47 0.00 0.00 5.44 0.10 -1.92 -0.11 132.00 138.97 1iku h PRO 135 Ca -0.48 0.00 -0.09 0.00 0.10 0.00 0.00 66.00 65.53 1iku h PRO 135 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.28 1iku h PRO 135 CO 0.66 0.00 -0.85 -1.91 0.10 0.00 0.00 178.00 176.00 1iku n GLU 136 N -2.55 0.50 0.01 1.05 4.07 -1.26 -4.11 120.64 118.35 1iku n GLU 136 Ca -0.02 0.51 0.02 0.00 -0.06 0.00 0.00 57.16 57.62 1iku n GLU 136 Cb 0.19 -1.69 0.10 0.00 -0.06 0.00 0.00 31.44 29.99 1iku n GLU 136 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1iku n ASP 137 N -4.54 0.04 0.03 4.31 9.92 -0.95 -2.30 116.55 123.06 1iku n ASP 137 Ca -0.17 0.52 0.01 0.00 -0.53 0.00 0.00 54.79 54.62 1iku n ASP 137 Cb 0.43 -0.52 0.08 0.00 -0.64 0.00 0.00 41.12 40.47 1iku n ASP 137 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1iku n THR 138 N -1.55 1.36 0.20 -3.53 -2.24 -0.10 -0.44 114.28 107.97 1iku n THR 138 Ca 0.01 0.54 0.08 0.00 -2.27 0.00 0.00 64.05 62.40 1iku n THR 138 Cb 0.04 -1.54 0.37 0.00 -2.10 0.00 0.00 70.33 67.10 1iku n THR 138 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iku n LYS 139 N -1.50 0.09 0.16 -0.78 4.81 -0.97 -1.18 118.16 118.78 1iku n LYS 139 Ca -0.00 0.51 0.02 0.00 -0.87 0.00 0.00 58.31 57.97 1iku n LYS 139 Cb 0.14 -1.76 0.25 0.00 0.02 0.00 0.00 35.03 33.68 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iku h HIS 140 N 0.00 0.00 -3.31 5.64 3.86 -1.05 -3.44 115.15 116.85 1iku h HIS 140 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 1iku h HIS 140 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1iku h HIS 140 CO 0.00 0.50 -0.06 -0.51 0.86 0.00 0.00 177.93 178.71 1iku s LEU 141 N -7.32 3.96 0.96 2.43 1.43 -0.33 -5.04 118.68 114.77 1iku s LEU 141 Ca -0.01 0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1iku s LEU 141 Cb 0.12 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.70 1iku s LEU 141 CO 0.73 -0.29 0.20 -2.65 0.23 0.00 0.00 176.35 174.56 1iku n PRO 142 N -1.23 -0.30 0.03 1.29 -0.02 -1.26 -4.94 135.00 128.57 1iku n PRO 142 Ca -0.01 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.33 1iku n PRO 142 Cb 0.54 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.24 1iku n PRO 142 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1iku h GLU 143 N -1.50 -0.17 -0.89 -0.52 4.39 -1.93 -3.33 114.58 110.63 1iku h GLU 143 Ca -0.44 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.44 1iku h GLU 143 Cb 1.29 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 29.81 1iku h GLU 143 CO 0.33 0.24 -0.29 -0.44 -1.16 0.00 0.00 179.01 177.69 1iku h ASP 144 N -0.94 -1.05 -0.05 1.42 3.32 -2.02 0.46 116.42 117.55 1iku h ASP 144 Ca -0.02 0.28 -0.45 0.00 0.02 0.00 0.00 57.03 56.86 1iku h ASP 144 Cb 0.49 0.62 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1iku h ASP 144 CO 0.03 -0.30 1.79 -0.62 -1.72 0.00 0.00 179.24 178.42 1iku n GLU 145 N -5.53 2.91 0.00 3.56 1.02 -1.25 -4.50 120.64 116.85 1iku n GLU 145 Ca 0.12 -1.68 0.10 0.00 -0.02 0.00 0.00 57.16 55.67 1iku n GLU 145 Cb 0.43 -2.41 0.57 0.00 -0.02 0.00 0.00 31.44 30.00 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1iku n ASN 146 N 2.97 0.00 -3.89 1.62 0.23 0.15 -4.65 115.26 111.69 1iku n ASN 146 Ca 0.61 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.58 53.47 1iku n ASN 146 Cb 0.56 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.14 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1iku s THR 147 N -2.00 0.06 0.66 5.53 -4.23 -1.26 -5.01 115.64 109.39 1iku s THR 147 Ca 0.29 -0.50 0.36 0.00 -1.18 0.00 0.00 61.69 60.65 1iku s THR 147 Cb 0.13 -0.28 0.37 0.00 1.34 0.00 0.00 72.50 74.06 1iku s THR 147 CO 0.22 -0.28 2.12 -0.65 -0.54 0.00 0.00 174.62 175.50 1iku h PRO 148 N 5.00 0.00 0.16 3.99 0.10 -1.92 0.12 132.00 139.44 1iku h PRO 148 Ca -0.29 0.00 -0.22 0.00 0.10 0.00 0.00 66.00 65.59 1iku h PRO 148 Cb 1.20 0.00 0.02 0.00 0.10 0.00 0.00 31.00 32.32 1iku h PRO 148 CO 0.42 0.00 -1.01 0.93 0.10 0.00 0.00 178.00 178.45 1iku h GLU 149 N 0.00 0.33 -0.00 1.05 5.08 -1.94 -2.78 114.58 116.32 1iku h GLU 149 Ca 0.01 -0.56 -0.13 0.00 -1.00 0.00 0.00 59.36 57.67 1iku h GLU 149 Cb 0.38 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1iku h GLU 149 CO -0.00 1.27 -0.62 0.87 -1.00 0.00 0.00 179.01 179.53 1iku h LYS 150 N -0.28 0.01 0.08 2.33 1.79 -1.54 -2.48 116.57 116.47 1iku h LYS 150 Ca -0.18 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1iku h LYS 150 Cb 1.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1iku h LYS 150 CO 0.16 0.63 -0.04 -0.09 -1.08 0.00 0.00 179.45 179.03 1iku h ARG 151 N 0.01 -0.10 -0.55 3.15 9.65 -0.91 -2.82 114.38 122.82 1iku h ARG 151 Ca -0.01 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1iku h ARG 151 Cb 1.10 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 1iku h ARG 151 CO 0.08 0.12 0.13 0.00 2.80 0.00 0.00 179.97 183.10 1iku h ALA 152 N 0.60 1.20 0.13 2.80 0.00 -1.47 -2.88 119.26 119.64 1iku h ALA 152 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1iku h ALA 152 Cb 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1iku h ALA 152 CO 0.02 0.55 -0.52 1.49 0.00 0.00 0.00 179.25 180.78 1iku h GLU 153 N 0.81 -0.72 -0.36 0.00 4.81 -1.26 0.27 114.58 118.12 1iku h GLU 153 Ca 0.18 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1iku h GLU 153 Cb 0.30 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1iku h GLU 153 CO -0.00 -0.48 -0.15 0.87 -0.73 0.00 0.00 179.01 178.52 1iku h LYS 154 N -0.75 -0.08 -0.52 1.92 1.79 -1.42 0.41 116.57 117.92 1iku h LYS 154 Ca -0.01 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.57 1iku h LYS 154 Cb 0.75 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1iku h LYS 154 CO -0.27 -0.05 0.35 0.82 -1.08 0.00 0.00 179.45 179.22 1iku h ILE 155 N -0.08 0.87 0.04 1.86 2.04 -1.20 0.64 117.51 121.68 1iku h ILE 155 Ca 0.18 -0.09 -0.22 0.00 1.00 0.00 0.00 64.86 65.72 1iku h ILE 155 Cb 0.35 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1iku h ILE 155 CO -0.41 0.05 -1.03 -0.25 0.00 0.00 0.00 178.15 176.50 1iku h TRP 156 N 0.26 0.19 -0.01 1.37 2.91 0.25 -1.26 115.95 119.67 1iku h TRP 156 Ca 0.24 -0.13 -0.20 0.00 1.13 0.00 0.00 58.89 59.93 1iku h TRP 156 Cb 0.60 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1iku h TRP 156 CO -0.00 1.06 -0.87 0.78 -1.03 0.00 0.00 178.44 178.38 1iku h GLY 157 N 2.35 0.30 0.94 2.65 0.00 0.13 -3.23 103.07 106.22 1iku h GLY 157 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1iku h GLY 157 CO 0.15 0.46 -0.83 0.69 0.00 0.00 0.00 176.54 177.00 1iku n PHE 158 N -3.70 0.54 0.00 5.60 3.72 0.05 -4.38 117.46 119.28 1iku n PHE 158 Ca -0.04 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1iku n PHE 158 Cb 0.80 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -2.17 0.00 0.00 1.38 3.72 -0.48 -4.84 117.46 115.07 1iku n PHE 159 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1iku n PHE 159 Cb 0.46 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.94 0.25 0.00 1.37 0.00 -1.26 -4.87 105.19 99.74 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.06 118.16 118.47 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iku n LYS 161 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iku n LYS 162 N 0.00 0.49 -2.50 1.97 5.02 -1.26 -4.64 118.16 117.24 1iku n LYS 162 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1iku n LYS 162 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1iku n LYS 162 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iku s ASP 163 N -1.94 4.66 0.00 4.39 2.15 -1.26 -4.10 116.67 120.57 1iku s ASP 163 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1iku s ASP 163 Cb 0.00 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 1iku s ASP 163 CO 0.00 -1.63 0.00 -0.67 -0.17 0.00 0.00 175.17 172.70 1iku n ASP 164 N -2.74 0.00 -4.68 -0.34 2.03 -1.26 -4.94 116.55 104.62 1iku n ASP 164 Ca 0.12 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 1iku n ASP 164 Cb 0.60 -0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iku s ASP 165 N -2.80 7.01 0.64 1.67 2.15 -1.26 -5.02 116.67 119.06 1iku s ASP 165 Ca 0.00 1.82 -0.04 0.00 0.43 0.00 0.00 52.55 54.77 1iku s ASP 165 Cb 0.00 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1iku s ASP 165 CO 0.00 -0.64 0.92 -0.54 -0.17 0.00 0.00 175.17 174.74 1iku s LYS 166 N 2.51 2.34 -0.07 4.34 3.01 -1.26 -4.76 119.74 125.85 1iku s LYS 166 Ca 0.57 -0.46 0.02 0.00 -1.01 0.00 0.00 55.97 55.09 1iku s LYS 166 Cb -0.25 -2.30 0.02 0.00 -1.01 0.00 0.00 37.83 34.29 1iku s LYS 166 CO 0.21 -1.02 -0.11 -0.51 0.51 0.00 0.00 175.35 174.43 1iku s LEU 167 N -5.05 1.56 0.57 3.17 1.43 -1.07 -4.99 118.68 114.30 1iku s LEU 167 Ca 0.59 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1iku s LEU 167 Cb -0.11 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1iku s LEU 167 CO 0.42 0.01 0.81 0.42 0.23 0.00 0.00 176.35 178.24 1iku s THR 168 N 0.81 2.60 0.20 5.49 -4.23 -1.26 -2.03 115.64 117.22 1iku s THR 168 Ca -0.12 -0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 59.56 1iku s THR 168 Cb -0.15 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 70.85 1iku s THR 168 CO 0.02 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.34 1iku h GLU 169 N -0.02 -0.11 -0.36 3.99 5.08 -1.99 0.15 114.58 121.32 1iku h GLU 169 Ca -0.42 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.78 1iku h GLU 169 Cb 1.30 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1iku h GLU 169 CO 0.52 -0.07 -0.41 1.57 -1.00 0.00 0.00 179.01 179.62 1iku h LYS 170 N -0.11 0.92 -0.31 2.33 -0.00 -1.95 -2.89 116.57 114.57 1iku h LYS 170 Ca 0.26 -0.51 0.04 0.00 -0.00 0.00 0.00 60.65 60.44 1iku h LYS 170 Cb 0.56 0.03 -0.04 0.00 -0.00 0.00 0.00 32.23 32.78 1iku h LYS 170 CO -0.80 1.16 0.08 1.49 -0.00 0.00 0.00 179.45 181.38 1iku h GLU 171 N 0.74 0.19 0.09 0.07 4.57 -1.46 0.35 114.58 119.12 1iku h GLU 171 Ca 0.05 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1iku h GLU 171 Cb 1.01 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1iku h GLU 171 CO 0.10 0.12 -0.10 0.35 -1.18 0.00 0.00 179.01 178.30 1iku h PHE 172 N 0.19 -0.26 0.57 0.92 3.57 -0.78 0.69 116.94 121.84 1iku h PHE 172 Ca 0.14 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1iku h PHE 172 Cb 0.14 0.10 0.01 0.00 2.79 0.00 0.00 35.95 38.99 1iku h PHE 172 CO -0.16 -0.16 -0.28 0.82 -2.23 0.00 0.00 178.31 176.31 1iku h ILE 173 N -0.22 0.38 -0.34 1.41 5.03 -1.27 -2.51 117.51 120.00 1iku h ILE 173 Ca 0.01 -0.22 0.10 0.00 -0.12 0.00 0.00 64.86 64.63 1iku h ILE 173 Cb 0.22 0.46 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 1iku h ILE 173 CO -0.04 0.03 0.26 -0.08 -0.68 0.00 0.00 178.15 177.64 1iku h GLU 174 N -0.92 0.00 -0.63 2.37 4.81 -0.24 -0.72 114.58 119.25 1iku h GLU 174 Ca -0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1iku h GLU 174 Cb 0.64 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1iku h GLU 174 CO 0.13 0.00 0.22 0.78 -0.73 0.00 0.00 179.01 179.41 1iku h GLY 175 N 0.00 1.02 0.02 1.92 0.00 0.83 -1.93 103.07 104.94 1iku h GLY 175 Ca 0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1iku h GLY 175 CO -0.00 0.55 -0.01 -0.91 0.00 0.00 0.00 176.54 176.17 1iku h THR 176 N 0.89 0.00 -1.69 4.70 1.35 -0.87 -3.07 112.91 114.22 1iku h THR 176 Ca 0.21 -0.30 0.50 0.00 -0.55 0.00 0.00 66.41 66.27 1iku h THR 176 Cb 0.25 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.58 1iku h THR 176 CO -0.01 0.00 1.20 0.25 -0.25 0.00 0.00 175.52 176.71 1iku h LEU 177 N -0.32 0.05 0.25 3.87 6.46 -1.41 0.43 115.31 124.63 1iku h LEU 177 Ca -0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1iku h LEU 177 Cb 0.02 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1iku h LEU 177 CO 0.00 -0.03 -0.12 0.00 -0.62 0.00 0.00 178.44 177.67 1iku h ALA 178 N 1.20 -0.34 -2.88 1.25 0.00 -1.45 -3.44 119.26 113.61 1iku h ALA 178 Ca 0.84 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.97 1iku h ALA 178 Cb 3.24 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 21.08 1iku h ALA 178 CO -0.09 -0.39 -0.20 -0.80 0.00 0.00 0.00 179.25 177.77 1iku s ASN 179 N -5.26 6.67 0.30 0.00 -0.87 0.14 -4.96 114.94 110.96 1iku s ASN 179 Ca -0.11 0.80 0.16 0.00 -1.57 0.00 0.00 52.86 52.14 1iku s ASN 179 Cb 0.01 -2.25 0.19 0.00 -0.02 0.00 0.00 41.25 39.18 1iku s ASN 179 CO 0.40 0.13 1.50 0.11 -2.57 0.00 0.00 177.10 176.67 1iku h LYS 180 N 6.05 0.00 0.58 -0.60 1.57 -1.85 -3.24 116.57 119.07 1iku h LYS 180 Ca -0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1iku h LYS 180 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1iku h LYS 180 CO 0.71 0.46 -0.28 0.93 -0.57 0.00 0.00 179.45 180.70 1iku h GLU 181 N 0.00 -0.75 -1.10 3.15 4.39 -1.93 -2.68 114.58 115.65 1iku h GLU 181 Ca -0.00 0.05 0.32 0.00 0.34 0.00 0.00 59.36 60.07 1iku h GLU 181 Cb 1.29 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 29.99 1iku h GLU 181 CO 0.06 -0.50 0.69 0.82 -1.16 0.00 0.00 179.01 178.92 1iku h ILE 182 N -1.05 0.37 -0.30 3.13 2.04 -1.90 0.47 117.51 120.26 1iku h ILE 182 Ca -0.08 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1iku h ILE 182 Cb 0.60 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1iku h ILE 182 CO 0.13 0.06 0.18 0.25 0.00 0.00 0.00 178.15 178.77 1iku h LEU 183 N 0.31 0.29 -0.08 1.44 5.85 -1.56 0.44 115.31 122.01 1iku h LEU 183 Ca 0.69 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.41 1iku h LEU 183 Cb 1.80 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1iku h LEU 183 CO -0.41 0.21 0.00 -1.14 -0.34 0.00 0.00 178.44 176.76 1iku n ARG 184 N -4.91 0.03 -0.05 1.25 0.63 0.15 0.11 116.66 113.86 1iku n ARG 184 Ca -0.01 0.22 -0.05 0.00 -0.92 0.00 0.00 57.85 57.09 1iku n ARG 184 Cb 0.05 -1.55 -0.15 0.00 0.45 0.00 0.00 32.46 31.26 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1iku n LEU 185 N -1.61 0.27 -0.12 6.15 4.77 -0.20 -4.62 117.00 121.63 1iku n LEU 185 Ca 0.04 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1iku n LEU 185 Cb 0.22 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1iku n LEU 185 CO 0.18 0.34 -1.05 0.00 -1.33 0.00 0.00 177.39 175.53 1iku n ILE 186 N -2.73 1.51 -1.90 -0.08 0.00 0.14 -4.67 119.36 111.63 1iku n ILE 186 Ca -0.22 -0.13 -0.39 0.00 0.00 0.00 0.00 62.75 62.01 1iku n ILE 186 Cb 0.99 -2.10 -0.03 0.00 0.00 0.00 0.00 39.64 38.50 1iku n ILE 186 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1iku n GLN 187 N -4.36 2.31 -1.55 9.51 7.27 0.12 -4.89 117.38 125.79 1iku n GLN 187 Ca -0.35 -2.57 -0.36 0.00 0.07 0.00 0.00 57.00 53.78 1iku n GLN 187 Cb 0.70 -3.36 -0.04 0.00 2.41 0.00 0.00 30.24 29.95 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1iku n PHE 188 N 9.08 1.39 -0.40 3.69 7.35 -1.26 -4.75 117.46 132.56 1iku n PHE 188 Ca 0.49 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1iku n PHE 188 Cb 0.43 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09